Compound ID | 516

Update compound information

ABI-0094

Class: Rifamycin

Spectrum of activity: Gram-negative
Description: 1. Flamm RK, Karginova E, Rothstein DMDM, et al. In vitro potency and spectrum of novel rifamycins ABI-0043, ABI-0094 and ABI-0299. 45th-Intersci-Conf-Antimicrob-Agents-Chemother 2005;222-223 2. Rothstein DM, Sirokman K, Gwathmey JK, et al. Efficacy of rifalazil and related rifamycins in a mouse model of Helicobacter pylori infection is due to both a luminal and systemic component. 45th-Intersci-Conf-Antimicrob-Agents-Chemother 2005;223
Institute where first reported: ActivBiotics, Inc., USA
Year first mentioned: 2005
Highest developmental phase: Preclinical
Development status: Inactive
Reason Dropped: Despite having low MICs, it failed to display efficacy unlike ABI-0043 which is now in pre-clinical studies (1)
Chemical structure(s):
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Molecular weight: 897.02
Iso. SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C3C(=C4C(=C(C(=C5C4=C([C@](O5)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)O)C)OC)C)O)C)O)C2=O)N=C6C(=CC(=CC6=O)N7CCN(CC7)CC8CC8)O3)/C
InChI Key: NVILICCBMCYDTJ-FLBFPOANSA-N
Can. SMILES: C[C@H]1/C=C/C=C(/C)\C(=O)NC2=C3C(=C4C(=C(C(=C5C4=C([C@@](C)(O/C=C/[C@@H]([C@@H](C)[C@H]([C@H](C)[C@@H]([C@H](C)[C@H]1O)O)O)OC)O5)O)C)O)C2=O)N=C6C(=O)C=C(C=C6O3)N7CCN(CC7)CC8CC8
InChI: InChI=1S/C49H60N4O12/c1-23-10-9-11-24(2)48(61)51-39-44(59)35-34(38-46(39)64-33-21-30(20-31(54)37(33)50-38)53-17-15-52(16-18-53)22-29-12-13-29)36-45(28(6)43(35)58)65-49(7,47(36)60)63-19-14-32(62-8)25(3)41(56)27(5)42(57)26(4)40(23)55/h9-11,14,19-21,23,25-27,29,32,40-42,55-58,60H,12-13,15-18,22H2,1-8H3,(H,51,61)/b10-9+,19-14+,24-11-/t23-,25+,26+,27-,32-,40-,41+,42+,49-/m0/s1
External links:
PubChem link: https://pubchem.ncbi.nlm.nih.gov/compound/135440254
Citations:
  • https://journals.asm.org/doi/10.1128/aac.01567-07?url_ver=Z39.88-2003&rfr_id=ori%3Arid%3Acrossref.org&rfr_dat=cr_pub++0pubmed

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